GD026588

Name:

None

Formula:

C46H48O24

Smiles:

COc1cc2c(O[C@@H]3O[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3

Aglycone:

COC(C)=O.COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3

Sugarmoiety:

CC(=O)OCC1OC(OC2OOC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL4225094

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD00663

Formula: C21H16O7

Smiles:

COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.19
AlogP:	3.63	Num_rotatable_bonds:	3
MolWt:	380.35	Num_heavy_atoms:	28
TPSA:	83.45	NumAromaticRings:	3